15-deoxy-Δ12,14-PGJ2 [42]
15-deoxy-Δ12,14-PGJ2
| SMILES | CCCCC/C=C\C=C1\C(=O)C=C[C@@H]1C/C=C\CCCC(=O)O |
| InChIKey | VHRUMKCAEVRUBK-WKELIDJCSA-N |
Chemical Properties
| Hydrogen bond acceptors | 2 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 11 |
| Log P | 5.006 |
| Molecular weight (Da) | 316.2 |
| Stereochemistry info | unspecified |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| Protein | Gene | Species | Family | Class | Type | Min | Avg | Max | Database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| Protein | Gene | Species | Family | Class | Type | Min | Avg | Max | Database |
15-deoxy-Δ12,14-PGJ2
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | Yes |
Distribution across phases (no. indications)
Phase I
0
Phase II
0
Phase III
0
Phase IV
0